2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(1-phenethyl-2-benzimidazolyl)thio]methyl]benzoic acid IUPAC Name: 2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(1-phenethylbenzimidazol-2-yl)thio]methyl]benzoic acid Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H20N2O2S/c26-22(27)19-11-5-4-10-18(19)16-28-23-24-20-12-6-7-13-21(20)25(23)15-14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,26,27)